ethyl 2-methyliminospiro[1,3,4-thiadiazol-3-ium-5,2'-adamantane]-3-carboxylate

Systemtic Name: ethyl 2-methyliminospiro[1,3,4-thiadiazol-3-ium-5,2'-adamantane]-3-carboxylate Openeye Name: ethyl 2-methyliminospiro[1,3,4-thiadiazol-3-ium-5,2'-adamantane]-3-carboxylate CAS Name: 2-methylimino-3-spiro[1,3,4-thiadiazol-3-ium-5,2'-adamantane]carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyliminospiro[1,3,4-thiadiazol-3-ium-5,2'-adamantane]-3-carboxylate Traditional Name: 2-methyliminospiro[1,3,4-thiadiazol-3-ium-5,2'-adamantane]-3-carboxylic acid ethyl ester Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=NC2(C3CC4CC(C3)CC2C4)SC1=NC

Isomeric SMILES

CCOC(=O)[N+]1=NC2(C3CC4CC(C3)CC2C4)SC1=NC

InChI

InChI=1S/C15H22N3O2S/c1-3-20-14(19)18-13(16-2)21-15(17-18)11-5-9-4-10(7-11)8-12(15)6-9/h9-12H,3-8H2,1-2H3/q+1